Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:45:31 UTC
Update Date2022-08-31 22:35:37 UTC
Metabolite IDMMDBc0033363
Metabolite Identification
Common NameTG(16:1(9Z)/16:1(9Z)/26:0)
DescriptionTG(16:1(9Z)/16:1(9Z)/26:0) is a dipalmitoleic acid triglyceride. Triglycerides (TGs or TAGs) are also known as triacylglycerols or triacylglycerides, meaning that they are glycerides in which the glycerol is esterified with three fatty acid groups (i.e. fatty acid trimesters of glycerol). TGs may be divided into three general types with respect to their acyl substituents. They are simple or monoacid if they contain only one type of fatty acid, diacid if they contain two types of fatty acids and triacid if three different acyl groups. Chain lengths of the fatty acids in naturally occurring triglycerides can be of varying lengths and saturations but 16, 18 and 20 carbons are the most common. TG(16:1(9Z)/16:1(9Z)/26:0), in particular, consists of one chain of palmitoleic acid at the C-1 position, one chain of palmitoleic acid at the C-2 position and one chain of hexacosanic acid at the C-3 position. TGs are the main constituent of vegetable oil and animal fats. They contain more than twice the energy (9 kcal/g) of carbohydrates and proteins. (www.cyberlipid.org, www.wikipedia.org)
Structure
SynonymsNot Available
Molecular FormulaC61H114O6
Average Mass943.5543
Monoisotopic Mass942.86154138
IUPAC Name(2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl hexacosanoate
Traditional Name(2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl hexacosanoate
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC
InChI Identifier
InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-36-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-23-20-17-14-11-8-5-2/h20-21,23-24,58H,4-19,22,25-57H2,1-3H3/b23-20-,24-21-/t58-/m1/s1
InChI KeyWHDLBYNKZGCHCE-GMFCVOFDSA-N